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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 14 families. | |||||
1 | 6QXU | ic50 = 7 nM | JKN | C17 H14 F2 N2 O2 | CC(C)(c1cc.... |
2 | 3UDD | - | 34M | C20 H19 N5 O3 S | Cc1nnc(n1c.... |
3 | 4W6E | ic50 < 0.003 uM | 3J5 | C27 H29 N5 O2 | Cc1cc(ncc1.... |
4 | 4MSK | ic50 = 0.063 uM | 2C8 | C25 H19 N5 O3 | c1ccc(cc1).... |
5 | 4OA7 | - | 2XS | C25 H19 N3 O3 | c1cc2cccnc.... |
6 | 4K4E | - | K4E | C22 H25 Cl N4 O3 | COc1ccc(cc.... |
7 | 4N4V | ic50 = 0.002 uM | 2GY | C26 H29 N5 O2 | CC1([C@@H].... |
8 | 5ECE | ic50 = 9 nM | 5N2 | C26 H22 N6 O2 | c1ccc2c(c1.... |
9 | 4TOR | - | IW8 | C25 H28 Br N3 O4 S | CCN(c1cccc.... |
10 | 3UH4 | ic50 = 0.011 uM | XAV | C14 H11 F3 N2 O S | c1cc(ccc1c.... |
11 | 4I9I | ic50 = 0.008 uM | 1DY | C25 H22 N4 O4 | COc1ccccc1.... |
12 | 4DVI | - | 2IW | C26 H21 N3 O3 | Cc1ccnc2c1.... |
13 | 4LI6 | - | 1XO | C23 H21 N3 O2 S | c1ccc(cc1).... |
14 | 4MSG | ic50 = 0.1 nM | 2C6 | C25 H25 N5 O3 S | c1ccc(cc1).... |
15 | 3UH2 | ic50 = 1 uM | P34 | C17 H17 N3 O2 | CN(C)CC(=O.... |
16 | 5EBT | - | 5N8 | C23 H17 F5 N6 O2 | C[C@H]1Cn2.... |
17 | 4MT9 | ic50 = 0.1 nM | 2D6 | C24 H24 N4 O3 S | c1ccc2c(c1.... |
18 | 4N4T | ic50 = 0.049 uM | 2GV | C26 H23 N5 O2 | CC1([C@@H].... |
19 | 4N3R | ic50 = 0.15 uM | 2GU | C26 H22 F N5 O2 | CC1(CC(=O).... |
20 | 4LI7 | - | 1XP | C23 H23 Cl F N3 O3 | COc1cc(c(c.... |
21 | 4KRS | ic50 = 0.299 uM | 1SX | C15 H18 N4 O S | CC(C)(C)c1.... |
22 | 4TOS | - | 355 | C33 H33 N5 O4 | CC1=CC=CC2.... |
23 | 4BUV | ic50 = 21 nM | 16I | C19 H13 N3 O2 S | c1ccc2c(c1.... |
24 | 4BJ9 | ic50 = 45 nM | UHB | C24 H27 N9 O6 | c1cc2c(c(c.... |
25 | 4BU3 | ic50 = 59 nM | F40 | C14 H10 N2 O | c1ccc(cc1).... |
26 | 3P0Q | - | NNL | C14 H14 Cl N5 | Cc1cc(c2nn.... |
27 | 4UFU | ic50 = 10 nM | 2ZI | C16 H11 F3 N2 O | Cc1cccc2c1.... |
28 | 4UVX | ic50 = 11 nM | H2W | C15 H9 Cl F N O | c1cc2c(c(c.... |
29 | 4UFY | ic50 = 7 nM | M3W | C16 H14 N2 O | Cc1ccc(cc1.... |
30 | 4BJC | ic50 = 14 nM | RPB | C19 H18 F N3 O | CNCc1ccc(c.... |
31 | 4UVZ | - | 5NN | C15 H12 N2 O | c1ccc(cc1).... |
32 | 5AEH | ic50 = 0.037 uM | 8IR | C25 H19 Cl N4 O3 | COc1ccc(cc.... |
33 | 4UVV | ic50 = 32 nM | W8L | C16 H12 Cl N O | Cc1cccc2c1.... |
34 | 5OWT | - | F37 | C18 H14 N4 O3 | C[C@@]1(C(.... |
35 | 4UHG | ic50 = 540 nM | SZ5 | C15 H12 N2 O | Cc1ccc(cc1.... |
36 | 4UVY | ic50 = 5.5 nM | SGW | C16 H12 Cl N O2 | COc1cccc2c.... |
37 | 5NUT | ic50 = 12 nM | 9A8 | C17 H16 N2 O2 | CC(C)Oc1cc.... |
38 | 4BU8 | ic50 = 28 nM | 27F | C15 H9 N3 O | c1ccc2c(c1.... |
39 | 4UVW | ic50 = 19 nM | NYJ | C17 H15 N O | Cc1cccc2c1.... |
40 | 5NOB | ic50 = 0.0063 uM | 92T | C24 H17 Cl N8 O | c1ccc(c(c1.... |
41 | 4BUX | ic50 = 34 nM | F35 | C18 H14 N4 O3 | c1ccc2c(c1.... |
42 | 4BJB | ic50 = 219 nM | P34 | C17 H17 N3 O2 | CN(C)CC(=O.... |
43 | 3P0N | - | BPU | C11 H7 Br N2 O | c1cc2n(c1).... |
44 | 3U9Y | - | 09L | C24 H23 F N4 O3 | c1ccc2c(c1.... |
45 | 5AL5 | ic50 = 71 nM | JL9 | C18 H23 N5 O | c1cnccc1CN.... |
46 | 4BUW | ic50 = 15 nM | F33 | C17 H13 N3 O3 | c1ccc2c(c1.... |
47 | 4UVT | - | G1O | C10 H10 N2 O | CC1=CNC(=O.... |
48 | 4BUE | ic50 = 71 nM | JQF | C19 H19 N3 O2 | CC(C)CC(=O.... |
49 | 5AL4 | ic50 = 300 nM | WLH | C13 H20 N4 O | CN1CCN(CC1.... |
50 | 4W5I | ic50 = 97 nM | 3GX | C15 H16 N2 O | CN1CCCC2=C.... |
51 | 4BUD | ic50 = 5 nM | 29F | C18 H18 N2 O | CC(C)(C)c1.... |
52 | 4BFP | - | SWY | C29 H23 N5 O3 S | COc1ccc(cc.... |
53 | 4UVU | ic50 = 1200 nM | U1T | C21 H22 N2 O | Cc1cccc2c1.... |
54 | 5AKW | ic50 = 410 nM | NKI | C14 H11 Cl N2 O | c1ccc2c(c1.... |
55 | 5AL2 | ic50 = 360 nM | O53 | C16 H17 N3 O | CC(C)c1ccc.... |
56 | 4BS4 | ic50 = 72 nM | A64 | C18 H16 O2 | CC(C)c1ccc.... |
57 | 5AL3 | ic50 = 11000 nM | TGW | C14 H11 Cl2 N3 O | CN1c2c(ccc.... |
58 | 4UVN | - | CDJ | C15 H11 Cl N2 O | c1cc2c(c(c.... |
59 | 4BUS | ic50 = 176 nM | 32F | C16 H12 N2 O4 | c1ccc2c(c1.... |
60 | 3KR8 | Kd = 8 nM | XAV | C14 H11 F3 N2 O S | c1cc(ccc1c.... |
61 | 4M7B | ic50 = 200 nM | 28C | C14 H15 N5 O | Cc1cc(c2nn.... |
62 | 5AL1 | ic50 = 53000 nM | GN5 | C17 H19 N3 O | CC(C)(C)c1.... |
63 | 4BUU | ic50 = 56 nM | F38 | C15 H13 N3 O3 S | c1ccc2c(c1.... |
64 | 4UVS | - | R4E | C14 H18 N2 O | CCCCCC1=Cc.... |
65 | 4BUY | ic50 = 5 nM | F37 | C18 H14 N4 O3 | C[C@@]1(C(.... |
66 | 4UVO | - | 5WW | C16 H14 N2 O2 | COc1ccc(cc.... |
67 | 4BU9 | ic50 = 9 nM | 08C | C15 H12 N2 O2 | COc1ccc(cc.... |
68 | 5OWS | - | KC8 | C18 H16 N4 O2 | C[C@@]1(CN.... |
69 | 3P0P | - | NNF | C15 H17 F N4 O | CC1=CC(=O).... |
70 | 4BU6 | ic50 = 73 nM | RGK | C14 H11 N3 O | c1ccc2c(c1.... |
71 | 3MHJ | - | M3F | C14 H9 F3 N2 O | Cc1cc(nc2c.... |
72 | 4UVL | - | 32X | C9 H8 N2 O | c1cc2c(c(c.... |
73 | 4BUF | ic50 = 38 nM | F36 | C16 H12 N2 O2 | CC(=O)c1cc.... |
74 | 5AKU | ic50 = 150 nM | 29F | C18 H18 N2 O | CC(C)(C)c1.... |
75 | 4BUA | ic50 = 35 nM | 91F | C15 H12 N2 O S | CSc1ccc(cc.... |
76 | 4BU5 | ic50 = 102 nM | 3F4 | C14 H10 N2 O2 | c1ccc2c(c1.... |
77 | 4UX4 | - | E9L | C16 H15 N2 O | Cc1ccc(cc1.... |
78 | 4BU7 | ic50 = 11 nM | 25F | C14 H9 Br N2 O | c1ccc2c(c1.... |
79 | 3U9H | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
80 | 3UA9 | - | IWR | C25 H19 N3 O3 | c1cc2cccnc.... |
81 | 4BUT | ic50 = 12 nM | 31F | C14 H11 N3 O3 S | c1ccc2c(c1.... |
82 | 4BUI | ic50 = 23 nM | W2E | C16 H12 N2 O3 | COC(=O)c1c.... |
83 | 4J1Z | - | 495 | C8 H5 Cl N2 O | c1ccc2c(c1.... |
84 | 4J22 | Kd = 0.018 uM | AJ7 | C23 H24 Cl N3 O3 | CC1=CC(=O).... |
85 | 4J3L | Kd = 0.016 uM | AJ5 | C20 H19 Cl N2 O3 | CC1=CC(=O).... |
86 | 3MHK | - | P4L | C12 H11 N3 O S | c1ccnc(c1).... |
87 | 4J3M | ic50 = 0.021 uM | AJ8 | C17 H12 Cl N O3 | CC1=CC(=O).... |
88 | 4IUE | Kd = 0.28 uM | AJ4 | C16 H12 F N O | CC1=CC(=O).... |
89 | 4J21 | Kd = 0.039 uM | AJ6 | C16 H13 Cl N2 O | CC1=CC(=O).... |
90 | 3W51 | ic50 = 12 uM | AJ2 | C10 H9 N O | Cc1cc(nc2c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 9 families. | |||||
1 | 6QXU | ic50 = 7 nM | JKN | C17 H14 F2 N2 O2 | CC(C)(c1cc.... |
2 | 3UDD | - | 34M | C20 H19 N5 O3 S | Cc1nnc(n1c.... |
3 | 4W6E | ic50 < 0.003 uM | 3J5 | C27 H29 N5 O2 | Cc1cc(ncc1.... |
4 | 4MSK | ic50 = 0.063 uM | 2C8 | C25 H19 N5 O3 | c1ccc(cc1).... |
5 | 4OA7 | - | 2XS | C25 H19 N3 O3 | c1cc2cccnc.... |
6 | 4K4E | - | K4E | C22 H25 Cl N4 O3 | COc1ccc(cc.... |
7 | 4N4V | ic50 = 0.002 uM | 2GY | C26 H29 N5 O2 | CC1([C@@H].... |
8 | 5ECE | ic50 = 9 nM | 5N2 | C26 H22 N6 O2 | c1ccc2c(c1.... |
9 | 4TOR | - | IW8 | C25 H28 Br N3 O4 S | CCN(c1cccc.... |
10 | 3UH4 | ic50 = 0.011 uM | XAV | C14 H11 F3 N2 O S | c1cc(ccc1c.... |
11 | 4I9I | ic50 = 0.008 uM | 1DY | C25 H22 N4 O4 | COc1ccccc1.... |
12 | 4DVI | - | 2IW | C26 H21 N3 O3 | Cc1ccnc2c1.... |
13 | 4LI6 | - | 1XO | C23 H21 N3 O2 S | c1ccc(cc1).... |
14 | 4MSG | ic50 = 0.1 nM | 2C6 | C25 H25 N5 O3 S | c1ccc(cc1).... |
15 | 3UH2 | ic50 = 1 uM | P34 | C17 H17 N3 O2 | CN(C)CC(=O.... |
16 | 5EBT | - | 5N8 | C23 H17 F5 N6 O2 | C[C@H]1Cn2.... |
17 | 4MT9 | ic50 = 0.1 nM | 2D6 | C24 H24 N4 O3 S | c1ccc2c(c1.... |
18 | 4N4T | ic50 = 0.049 uM | 2GV | C26 H23 N5 O2 | CC1([C@@H].... |
19 | 4N3R | ic50 = 0.15 uM | 2GU | C26 H22 F N5 O2 | CC1(CC(=O).... |
20 | 4LI7 | - | 1XP | C23 H23 Cl F N3 O3 | COc1cc(c(c.... |
21 | 4KRS | ic50 = 0.299 uM | 1SX | C15 H18 N4 O S | CC(C)(C)c1.... |
22 | 4TOS | - | 355 | C33 H33 N5 O4 | CC1=CC=CC2.... |
23 | 4BUV | ic50 = 21 nM | 16I | C19 H13 N3 O2 S | c1ccc2c(c1.... |
24 | 4BJ9 | ic50 = 45 nM | UHB | C24 H27 N9 O6 | c1cc2c(c(c.... |
25 | 4BU3 | ic50 = 59 nM | F40 | C14 H10 N2 O | c1ccc(cc1).... |
26 | 3P0Q | - | NNL | C14 H14 Cl N5 | Cc1cc(c2nn.... |
27 | 4UFU | ic50 = 10 nM | 2ZI | C16 H11 F3 N2 O | Cc1cccc2c1.... |
28 | 4UVX | ic50 = 11 nM | H2W | C15 H9 Cl F N O | c1cc2c(c(c.... |
29 | 4UFY | ic50 = 7 nM | M3W | C16 H14 N2 O | Cc1ccc(cc1.... |
30 | 4BJC | ic50 = 14 nM | RPB | C19 H18 F N3 O | CNCc1ccc(c.... |
31 | 4UVZ | - | 5NN | C15 H12 N2 O | c1ccc(cc1).... |
32 | 5AEH | ic50 = 0.037 uM | 8IR | C25 H19 Cl N4 O3 | COc1ccc(cc.... |
33 | 4UVV | ic50 = 32 nM | W8L | C16 H12 Cl N O | Cc1cccc2c1.... |
34 | 5OWT | - | F37 | C18 H14 N4 O3 | C[C@@]1(C(.... |
35 | 4UHG | ic50 = 540 nM | SZ5 | C15 H12 N2 O | Cc1ccc(cc1.... |
36 | 4UVY | ic50 = 5.5 nM | SGW | C16 H12 Cl N O2 | COc1cccc2c.... |
37 | 5NUT | ic50 = 12 nM | 9A8 | C17 H16 N2 O2 | CC(C)Oc1cc.... |
38 | 4BU8 | ic50 = 28 nM | 27F | C15 H9 N3 O | c1ccc2c(c1.... |
39 | 4UVW | ic50 = 19 nM | NYJ | C17 H15 N O | Cc1cccc2c1.... |
40 | 5NOB | ic50 = 0.0063 uM | 92T | C24 H17 Cl N8 O | c1ccc(c(c1.... |
41 | 4BUX | ic50 = 34 nM | F35 | C18 H14 N4 O3 | c1ccc2c(c1.... |
42 | 4BJB | ic50 = 219 nM | P34 | C17 H17 N3 O2 | CN(C)CC(=O.... |
43 | 3P0N | - | BPU | C11 H7 Br N2 O | c1cc2n(c1).... |
44 | 3U9Y | - | 09L | C24 H23 F N4 O3 | c1ccc2c(c1.... |
45 | 5AL5 | ic50 = 71 nM | JL9 | C18 H23 N5 O | c1cnccc1CN.... |
46 | 4BUW | ic50 = 15 nM | F33 | C17 H13 N3 O3 | c1ccc2c(c1.... |
47 | 4UVT | - | G1O | C10 H10 N2 O | CC1=CNC(=O.... |
48 | 4BUE | ic50 = 71 nM | JQF | C19 H19 N3 O2 | CC(C)CC(=O.... |
49 | 5AL4 | ic50 = 300 nM | WLH | C13 H20 N4 O | CN1CCN(CC1.... |
50 | 4W5I | ic50 = 97 nM | 3GX | C15 H16 N2 O | CN1CCCC2=C.... |
51 | 4BUD | ic50 = 5 nM | 29F | C18 H18 N2 O | CC(C)(C)c1.... |
52 | 4BFP | - | SWY | C29 H23 N5 O3 S | COc1ccc(cc.... |
53 | 4UVU | ic50 = 1200 nM | U1T | C21 H22 N2 O | Cc1cccc2c1.... |
54 | 5AKW | ic50 = 410 nM | NKI | C14 H11 Cl N2 O | c1ccc2c(c1.... |
55 | 5AL2 | ic50 = 360 nM | O53 | C16 H17 N3 O | CC(C)c1ccc.... |
56 | 4BS4 | ic50 = 72 nM | A64 | C18 H16 O2 | CC(C)c1ccc.... |
57 | 5AL3 | ic50 = 11000 nM | TGW | C14 H11 Cl2 N3 O | CN1c2c(ccc.... |
58 | 4UVN | - | CDJ | C15 H11 Cl N2 O | c1cc2c(c(c.... |
59 | 4BUS | ic50 = 176 nM | 32F | C16 H12 N2 O4 | c1ccc2c(c1.... |
60 | 3KR8 | Kd = 8 nM | XAV | C14 H11 F3 N2 O S | c1cc(ccc1c.... |
61 | 4M7B | ic50 = 200 nM | 28C | C14 H15 N5 O | Cc1cc(c2nn.... |
62 | 5AL1 | ic50 = 53000 nM | GN5 | C17 H19 N3 O | CC(C)(C)c1.... |
63 | 4BUU | ic50 = 56 nM | F38 | C15 H13 N3 O3 S | c1ccc2c(c1.... |
64 | 4UVS | - | R4E | C14 H18 N2 O | CCCCCC1=Cc.... |
65 | 4BUY | ic50 = 5 nM | F37 | C18 H14 N4 O3 | C[C@@]1(C(.... |
66 | 4UVO | - | 5WW | C16 H14 N2 O2 | COc1ccc(cc.... |
67 | 4BU9 | ic50 = 9 nM | 08C | C15 H12 N2 O2 | COc1ccc(cc.... |
68 | 5OWS | - | KC8 | C18 H16 N4 O2 | C[C@@]1(CN.... |
69 | 3P0P | - | NNF | C15 H17 F N4 O | CC1=CC(=O).... |
70 | 4BU6 | ic50 = 73 nM | RGK | C14 H11 N3 O | c1ccc2c(c1.... |
71 | 3MHJ | - | M3F | C14 H9 F3 N2 O | Cc1cc(nc2c.... |
72 | 4UVL | - | 32X | C9 H8 N2 O | c1cc2c(c(c.... |
73 | 4BUF | ic50 = 38 nM | F36 | C16 H12 N2 O2 | CC(=O)c1cc.... |
74 | 5AKU | ic50 = 150 nM | 29F | C18 H18 N2 O | CC(C)(C)c1.... |
75 | 4BUA | ic50 = 35 nM | 91F | C15 H12 N2 O S | CSc1ccc(cc.... |
76 | 4BU5 | ic50 = 102 nM | 3F4 | C14 H10 N2 O2 | c1ccc2c(c1.... |
77 | 4UX4 | - | E9L | C16 H15 N2 O | Cc1ccc(cc1.... |
78 | 4BU7 | ic50 = 11 nM | 25F | C14 H9 Br N2 O | c1ccc2c(c1.... |
79 | 3U9H | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
80 | 3UA9 | - | IWR | C25 H19 N3 O3 | c1cc2cccnc.... |
81 | 4BUT | ic50 = 12 nM | 31F | C14 H11 N3 O3 S | c1ccc2c(c1.... |
82 | 4BUI | ic50 = 23 nM | W2E | C16 H12 N2 O3 | COC(=O)c1c.... |
83 | 3SE2 | - | LDR | C13 H9 N O | c1ccc2c(c1.... |
84 | 6FYM | - | EBB | C15 H14 N4 O S | Cc1ccc2c(c.... |
85 | 5V7T | ic50 = 610 nM | 91V | C27 H32 N6 O | c1ccc(cc1).... |
86 | 3SMJ | - | FDR | C10 H10 N2 O S | CC1=Nc2c(c.... |
87 | 4F1L | - | 0RY | C11 H10 N2 O4 | c1cc(cc(c1.... |
88 | 4J1Z | - | 495 | C8 H5 Cl N2 O | c1ccc2c(c1.... |
89 | 4J22 | Kd = 0.018 uM | AJ7 | C23 H24 Cl N3 O3 | CC1=CC(=O).... |
90 | 4J3L | Kd = 0.016 uM | AJ5 | C20 H19 Cl N2 O3 | CC1=CC(=O).... |
91 | 3MHK | - | P4L | C12 H11 N3 O S | c1ccnc(c1).... |
92 | 4J3M | ic50 = 0.021 uM | AJ8 | C17 H12 Cl N O3 | CC1=CC(=O).... |
93 | 4IUE | Kd = 0.28 uM | AJ4 | C16 H12 F N O | CC1=CC(=O).... |
94 | 4J21 | Kd = 0.039 uM | AJ6 | C16 H13 Cl N2 O | CC1=CC(=O).... |
95 | 3W51 | ic50 = 12 uM | AJ2 | C10 H9 N O | Cc1cc(nc2c.... |
96 | 6EK3 | - | OUL | C14 H12 N2 O3 | c1cc(ccc1C.... |
97 | 4F0E | - | 0RU | C14 H12 N4 O S | Cc1cccc2c1.... |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4j3l.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |